UCSF

ZINC04029437

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2005 28 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.40 -0.89 -97.18 4 4 2 46 377.532 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )